!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! #info ./psgen ncpp 21:50:26 oct 11 2026 dani fhi pseudopotential tool fhipp - version rev270603B chemical symbol Ag nuclear charge 47.00 total charge 0.00 number of core states 8 number of valence states 2 exchange-correlation model 6 GGA Perdew/Burke/Ernzerhof scalar-relativistic mode parameters radial mesh 545 1.024700 0.132979E-03 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! 6 0.00 ! iexc , exmix 2 ! nshells 0 2 ! L values 11.00000 ! Z val 1.85437834 ! alpha 2.05 ! Rcutoff 528 0.0000000E+00 163.0710 4.0930873E-03 135.4101 8.1861746E-03 107.7279 1.2279262E-02 94.28532 1.6372349E-02 155.8219 2.0465435E-02 140.6475 2.4558524E-02 136.9114 2.8651610E-02 136.1560 3.2744698E-02 135.9916 3.6837786E-02 135.9779 4.0930871E-02 136.0260 4.5023959E-02 136.1112 4.9117047E-02 136.2253 5.3210136E-02 136.3614 5.7303220E-02 136.5145 6.1396308E-02 136.6779 6.5489396E-02 136.8472 6.9582485E-02 137.0177 7.3675573E-02 137.1848 7.7768661E-02 137.3437 8.1861742E-02 137.4902 8.5954830E-02 137.6207 9.0047918E-02 137.7311 9.4141006E-02 137.8167 9.8234095E-02 137.8723 0.1023272 137.8943 0.1064203 137.8777 0.1105134 137.8175 0.1146064 137.7083 0.1186995 137.5457 0.1227926 137.3248 0.1268857 137.0413 0.1309788 136.6903 0.1350719 136.2685 0.1391650 135.7727 0.1432581 135.2016 0.1473511 134.5536 0.1514442 133.8303 0.1555373 133.0338 0.1596304 132.1689 0.1637235 131.2411 0.1678166 130.2595 0.1719097 129.2341 0.1760028 128.1770 0.1800958 127.1018 0.1841889 126.0241 0.1882820 124.9595 0.1923751 123.9248 0.1964682 122.9361 0.2005613 122.0089 0.2046544 121.1573 0.2087474 120.3936 0.2128405 119.7274 0.2169336 119.1654 0.2210267 118.7111 0.2251198 118.3644 0.2292129 118.1219 0.2333060 117.9771 0.2373991 117.9200 0.2414922 117.9386 0.2455852 118.0187 0.2496783 118.1449 0.2537714 118.3016 0.2578645 118.4731 0.2619576 118.6440 0.2660507 118.8008 0.2701437 118.9308 0.2742369 119.0233 0.2783299 119.0690 0.2824230 119.0604 0.2865161 118.9912 0.2906092 118.8564 0.2947023 118.6523 0.2987954 118.3761 0.3028885 118.0254 0.3069815 117.5992 0.3110746 117.0968 0.3151677 116.5184 0.3192608 115.8653 0.3233539 115.1394 0.3274470 114.3443 0.3315401 113.4845 0.3356332 112.5663 0.3397262 111.5974 0.3438193 110.5869 0.3479124 109.5455 0.3520055 108.4841 0.3560986 107.4149 0.3601917 106.3483 0.3642848 105.2957 0.3683779 104.2644 0.3724709 103.2619 0.3765640 102.2922 0.3806571 101.3571 0.3847502 100.4567 0.3888433 99.58923 0.3929364 98.75105 0.3970295 97.93893 0.4011225 97.14731 0.4052157 96.37262 0.4093087 95.61015 0.4134018 94.85616 0.4174949 94.10747 0.4215880 93.36125 0.4256811 92.61548 0.4297742 91.86873 0.4338672 91.11990 0.4379603 90.36815 0.4420534 89.61349 0.4461465 88.85565 0.4502396 88.09482 0.4543327 87.33136 0.4584258 86.56551 0.4625189 85.79770 0.4666120 85.02844 0.4707050 84.25803 0.4747981 83.48705 0.4788912 82.71581 0.4829843 81.94460 0.4870774 81.17392 0.4911705 80.40392 0.4952635 79.63481 0.4993567 78.86688 0.5034497 78.10030 0.5075428 77.33521 0.5116359 76.57166 0.5157290 75.80981 0.5198221 75.04974 0.5239152 74.29147 0.5280083 73.53511 0.5321013 72.78070 0.5361944 72.02815 0.5402875 71.27765 0.5443806 70.52917 0.5484737 69.78271 0.5525668 69.03841 0.5566599 68.29619 0.5607529 67.55615 0.5648460 66.81834 0.5689391 66.08279 0.5730322 65.34955 0.5771253 64.61871 0.5812184 63.89029 0.5853115 63.16431 0.5894046 62.44090 0.5934976 61.72015 0.5975907 61.00204 0.6016839 60.28665 0.6057769 59.57410 0.6098700 58.86438 0.6139631 58.15765 0.6180562 57.45386 0.6221493 56.75311 0.6262423 56.05551 0.6303355 55.36104 0.6344285 54.66980 0.6385216 53.98181 0.6426147 53.29712 0.6467078 52.61581 0.6508009 51.93787 0.6548939 51.26343 0.6589870 50.59244 0.6630802 49.92496 0.6671732 49.26109 0.6712663 48.60078 0.6753594 47.94415 0.6794525 47.29118 0.6835456 46.64192 0.6876386 45.99640 0.6917318 45.35466 0.6958249 44.71674 0.6999179 44.08266 0.7040110 43.45244 0.7081041 42.82616 0.7121972 42.20380 0.7162903 41.58539 0.7203833 40.97104 0.7244765 40.36070 0.7285695 39.75447 0.7326626 39.15233 0.7367557 38.55434 0.7408488 37.96053 0.7449419 37.37091 0.7490349 36.78558 0.7531281 36.20448 0.7572212 35.62770 0.7613142 35.05528 0.7654073 34.48724 0.7695004 33.92361 0.7735935 33.36444 0.7776866 32.80974 0.7817796 32.25957 0.7858728 31.71393 0.7899659 31.17288 0.7940589 30.63646 0.7981520 30.10468 0.8022451 29.57756 0.8063382 29.05521 0.8104313 28.53755 0.8145244 28.02467 0.8186175 27.51660 0.8227105 27.01338 0.8268036 26.51500 0.8308967 26.02153 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